dimethyl (2R,3R)-2,3-bis(phenylmethoxy)butanedioate

C20H22O6 — CID 54082904

IUPACdimethyl (2R,3R)-2,3-bis(phenylmethoxy)butanedioate
SMILESCOC(=O)[C@H](OCc1ccccc1)[C@@H](OCc1ccccc1)C(=O)OC
InChIInChI=1S/C20H22O6/c1-23-19(21)17(25-13-15-9-5-3-6-10-15)18(20(22)24-2)26-14-16-11-7-4-8-12-16/h3-12,17-18H,13-14H2,1-2H3/t17-,18-/m1/s1
InChIKeyMOJIRNUPCQXAMZ-QZTJIDSGSA-N
MW358.39 g/mol
LogP2.50
Rot. Bonds9

About dimethyl (2R,3R)-2,3-bis(phenylmethoxy)butanedioate

dimethyl (2R,3R)-2,3-bis(phenylmethoxy)butanedioate (PubChem CID 54082904) has the molecular formula C20H22O6 and a molecular weight of 358.39 g/mol. Its IUPAC name is dimethyl (2R,3R)-2,3-bis(phenylmethoxy)butanedioate.

Molecular Properties

Compound Namedimethyl (2R,3R)-2,3-bis(phenylmethoxy)butanedioate
PubChem CID54082904
Molecular FormulaC20H22O6
Molecular Weight358.39 g/mol
Exact Mass358.14
IUPAC Namedimethyl (2R,3R)-2,3-bis(phenylmethoxy)butanedioate
SMILESCOC(=O)[C@H](OCc1ccccc1)[C@@H](OCc1ccccc1)C(=O)OC
InChIInChI=1S/C20H22O6/c1-23-19(21)17(25-13-15-9-5-3-6-10-15)18(20(22)24-2)26-14-16-11-7-4-8-12-16/h3-12,17-18H,13-14H2,1-2H3/t17-,18-/m1/s1
InChIKeyMOJIRNUPCQXAMZ-QZTJIDSGSA-N
XLogP2.50
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.39
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

Ethyl 3-phenylglycidate
CID 8469
Dibenzoyltartaric acid
CID 75969
Dibenzyl succinate
CID 7653
METHYL beta-PHENYLGLYCIDATE
CID 86834
Butanedioic acid, 2,3-bis(benzoyloxy)-, (2S,3S)-
CID 1550213
2,3-Bis(benzoyloxy)butanedioic acid
CID 86498
Ditoluoyltartaric acid, (+)-
CID 263211
Dibenzyl oxalate
CID 82058
Dibenzyl malonate
CID 84754
[R(R*,R*)]-2,3-bis[(4-methylbenzoyl)oxy]succinic acid
CID 97036
(-)-Di-p-toluoyl-L-tartaric acid
CID 3037000
methyl (2S,3S)-3-phenyloxirane-2-carboxylate
CID 146578

Frequently Asked Questions

What is the IUPAC name of dimethyl (2R,3R)-2,3-bis(phenylmethoxy)butanedioate?
The IUPAC name of dimethyl (2R,3R)-2,3-bis(phenylmethoxy)butanedioate (CID 54082904) is dimethyl (2R,3R)-2,3-bis(phenylmethoxy)butanedioate.
What is the SMILES notation for dimethyl (2R,3R)-2,3-bis(phenylmethoxy)butanedioate?
The canonical SMILES for dimethyl (2R,3R)-2,3-bis(phenylmethoxy)butanedioate is COC(=O)[C@H](OCc1ccccc1)[C@@H](OCc1ccccc1)C(=O)OC.
What is the InChIKey of dimethyl (2R,3R)-2,3-bis(phenylmethoxy)butanedioate?
The InChIKey is MOJIRNUPCQXAMZ-QZTJIDSGSA-N. The full InChI is InChI=1S/C20H22O6/c1-23-19(21)17(25-13-15-9-5-3-6-10-15)18(20(22)24-2)26-14-16-11-7-4-8-12-16/h3-12,17-18H,13-14H2,1-2H3/t17-,18-/m1/s1.
What are the key properties of dimethyl (2R,3R)-2,3-bis(phenylmethoxy)butanedioate?
dimethyl (2R,3R)-2,3-bis(phenylmethoxy)butanedioate has a molecular weight of 358.39 g/mol, XLogP of 2.50, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl (2R,3R)-2,3-bis(phenylmethoxy)butanedioate is sourced from PubChem (CID 54082904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).